Spektraris NMR
Phyllaemblicin A
Common Name: Phyllaemblicin A
Synonyms:
CAS Registry Number:
InChI: InChI=1S/C27H34O14/c1-12-11-37-26(9-15(12)38-22(33)13-5-3-2-4-6-13)25(35)27(36)17(29)7-14(8-18(27)41-26)23(34)40-24-21(32)20(31)19(30)16(10-28)39-24/h2-6,12,14-21,24,28-32,36H,7-11H2,1H3/t12-,14+,15+,16-,17+,18-,19-,20+,21-,24+,26+,27-/m1/s1
InChIKey: InChIKey=VWVDXHBJGQKCJA-PAMCWREESA-N
Formula: C27H34O14
Molecular Weight: 582.551524
Exact Mass: 582.194856
NMR Solvent: CD3OD
MHz:
Calibration:
NMR references: 13C - Zhang, Y.J., Tanaka, T., Iwamoto, Y., Yang, C.R., Kouno, I. J Nat Prod (2000) 63, 1507-10
Species:
Notes: Family : Terpenoids, Type : Sesquiterpenoids, Group : Bisabolanes; 13 C Spectrum from Naproc 13: José Luis López-Pérez, Roberto Therón, Esther del Olmo, David Díaz: NAPROC-13: a database for the dereplication of natural product mixtures in bioassay-guided protocols. Bioinformatics 23(23):3256-3257 (2007)
Carbon NMR Peaks
| Position | PPM |
|---|---|
| 1 (CH) | 71.2 |
| 2 (CH2) | 32.8 |
| 3 (CH) | 32.3 |
| 4 (CH2) | 29 |
| 5 (CH) | 76.2 |
| 6 (C) | 75.5 |
| 7 (C) | 213.8 |
| 8 (C) | 100.5 |
| 9 (CH2) | 32.6 |
| 10 (CH) | 71.1 |
| 11 (CH) | 34.3 |
| 12 (CH2) | 63.4 |
| 13 (CH3) | 13.1 |
| 15 (C) | 176.2 |
| 1' (CH) | 95.6 |
| 2' (CH) | 74 |
| 3' (CH) | 78.1 |
| 4' (CH) | 71 |
| 5' (CH) | 78.8 |
| 6' (CH2) | 62.4 |
| 10a (C) | 168 |
| 10b (C) | 132 |
| 10c (CH) | 130.7 |
| 10d (CH) | 129.7 |
| 10e (CH) | 134.4 |
| 10f (CH) | 129.7 |
| 10g (CH) | 130.7 |
